3-(4-methoxy-6-oxidanylidene-1H-pyridazin-3-yl)benzenesulfonic acid hydrate

Systemtic Name: 3-(4-methoxy-6-oxidanylidene-1H-pyridazin-3-yl)benzenesulfonic acid hydrate Openeye Name: 3-(4-methoxy-6-oxo-1H-pyridazin-3-yl)benzenesulfonic acid hydrate CAS Name: 3-(4-methoxy-6-oxo-1H-pyridazin-3-yl)benzenesulfonic acid hydrate IUPAC Name: 3-(4-methoxy-6-oxo-1H-pyridazin-3-yl)benzenesulfonic acid hydrate Traditional Name: 3-(6-keto-4-methoxy-1H-pyridazin-3-yl)besylic acid hydrate Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)NN=C1C2=CC(=CC=C2)S(=O)(=O)O.O

Isomeric SMILES

COC1=CC(=O)NN=C1C2=CC(=CC=C2)S(=O)(=O)O.O

InChI

InChI=1S/C11H10N2O5S.H2O/c1-18-9-6-10(14)12-13-11(9)7-3-2-4-8(5-7)19(15,16)17;/h2-6H,1H3,(H,12,14)(H,15,16,17);1H2